Ferrocenyl methanol

C11H12FeO — CID 10856885

IUPAC—
SMILESOCC1=CC=C[CH]1.[CH]1C=CC=C1.[Fe]
InChIInChI=1S/C6H7O.C5H5.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-4,7H,5H2;1-5H;
InChIKeyQETISSZVCNFQBN-UHFFFAOYSA-N
MW216.06 g/mol
LogP1.99
Rot. Bonds1

About Ferrocenyl methanol

Ferrocenyl methanol (PubChem CID 10856885) has the molecular formula C11H12FeO and a molecular weight of 216.06 g/mol.

Molecular Properties

Compound NameFerrocenyl methanol
PubChem CID10856885
Molecular FormulaC11H12FeO
Molecular Weight216.06 g/mol
Exact Mass216.02
IUPAC Name—
SMILESOCC1=CC=C[CH]1.[CH]1C=CC=C1.[Fe]
InChIInChI=1S/C6H7O.C5H5.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-4,7H,5H2;1-5H;
InChIKeyQETISSZVCNFQBN-UHFFFAOYSA-N
XLogP1.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.06
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Ferrocenyl methanol?
The IUPAC name of Ferrocenyl methanol (CID 10856885) is not available.
What is the SMILES notation for Ferrocenyl methanol?
The canonical SMILES for Ferrocenyl methanol is OCC1=CC=C[CH]1.[CH]1C=CC=C1.[Fe].
What is the InChIKey of Ferrocenyl methanol?
The InChIKey is QETISSZVCNFQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O.C5H5.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-4,7H,5H2;1-5H;.
What are the key properties of Ferrocenyl methanol?
Ferrocenyl methanol has a molecular weight of 216.06 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Ferrocenyl methanol is sourced from PubChem (CID 10856885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).